SMILES:
CS(=O)(=O)c1cc([N+](=O)[O-])c(C(=O)O)cc1N(CCBr)CCBrMolecular Processing
Molecular formula
C12H14Br2N2O6S
Molecular weight
474.13
Exact mass
471.8939
XLogP
2.29
TPSA
117.82
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
92.97
Supplementary Information
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